6,8-Dimethyl-2-(2-Methyl-3-Buten-2-Yl)Ergolin-9-Ol
Properties
Property | Value |
---|---|
Formula | C21H28N2O |
IUPAC Name | (6ar,7r,9s,10s,10ar)-5-(1,1-dimethylallyl)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-5-ylium-10-ol |
Molecular Mass | 324.460 g·mol−1 |
Heat of Formation | -52.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.48 ± 1.08 D |
Volume | 418.19 Å 3 |
Surface Area | 339.06 Å 2 |
HOMO Energy | -8.11 ± 0.55 eV |
LUMO Energy | 3.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | VCXCXXJJHZVDSD-GJGHSUIPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |